#! /bin/bash
cd $PBS_O_WORKDIR

#r0s="1.0 1.2 1.4 1.6 1.8 2.0 2.2 2.4 2.6 2.8"

r0s="1.4 1.8 2.2"

for r0 in $r0s; do
    name=r0$r0
    echo " dirname = " $name
    mkdir $name
        
    sed "s/BBB/$r0/g"  species.dat-0 > species.dat
    
    cp surf.bas $name
    cp species.dat $name
    
    cp  SHTM_3D.ini-0 SHTM_3D.ini
    ../code/SHTM_3D.x >OUT3D 2>ERR3D
    mv *.xsf $name
    mv OUT3D $name
    mv ERR3D $name
    mv SHTM_3D.ini $name
done

